2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol

C43H50N2O — CID 158253401

IUPAC2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol
SMILESCc1cc(-c2cc(C(C)C)cc(C(C)C)c2)c(O)c(-c2ccccc2-c2cccc(CNc3c(C(C)C)cccc3C(C)C)n2)c1
InChIInChI=1S/C43H50N2O/c1-26(2)31-22-32(27(3)4)24-33(23-31)39-20-30(9)21-40(43(39)46)37-15-10-11-16-38(37)41-19-12-14-34(45-41)25-44-42-35(28(5)6)17-13-18-36(42)29(7)8/h10-24,26-29,44,46H,25H2,1-9H3
InChIKeyDWPHRTQGSVRFFD-UHFFFAOYSA-N
MW610.89 g/mol
LogP12.20
Rot. Bonds10

About 2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol

2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol (PubChem CID 158253401) has the molecular formula C43H50N2O and a molecular weight of 610.89 g/mol. Its IUPAC name is 2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol.

Molecular Properties

Compound Name2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol
PubChem CID158253401
Molecular FormulaC43H50N2O
Molecular Weight610.89 g/mol
Exact Mass610.39
IUPAC Name2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol
SMILESCc1cc(-c2cc(C(C)C)cc(C(C)C)c2)c(O)c(-c2ccccc2-c2cccc(CNc3c(C(C)C)cccc3C(C)C)n2)c1
InChIInChI=1S/C43H50N2O/c1-26(2)31-22-32(27(3)4)24-33(23-31)39-20-30(9)21-40(43(39)46)37-15-10-11-16-38(37)41-19-12-14-34(45-41)25-44-42-35(28(5)6)17-13-18-36(42)29(7)8/h10-24,26-29,44,46H,25H2,1-9H3
InChIKeyDWPHRTQGSVRFFD-UHFFFAOYSA-N
XLogP12.20
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.89
LogP ≤ 512.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(dichloromethane);bis(2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]-6-phenylphenolate);bis(palladium(2+));diacetate
CID 139160239
2-[2-[6-[2-[2-methoxy-5-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(2-propan-2-ylphenyl)phenol
CID 154622879
N-[[6-[2-[(2-methylanilino)methyl]naphthalen-1-yl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline
CID 66796052
2-[[2,6-di(propan-2-yl)anilino]methyl]-6-phenylphenol
CID 174772916
carbanide;[8-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]quinolin-2-yl]methyl-[2,6-di(propan-2-yl)phenyl]azanide;hafnium
CID 177315427
carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium
CID 162463132
carbanide;2-[2-[2-[4-[2-(2-hydroxy-5-methyl-3-phenylphenyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-6-phenylphenol;zirconium(2+)
CID 169283759
2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol
CID 157481244
N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine
CID 22292706
2,6-diphenyl-4-propan-2-ylphenol
CID 155045328
N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline
CID 112581724
dichloromethane;2-[6-[2-[2,6-di(propan-2-yl)anilino]propan-2-yl]-2-pyridinyl]phenolate;palladium(2+);acetate
CID 139165846

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol?
The IUPAC name of 2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol (CID 158253401) is 2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol.
What is the SMILES notation for 2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol?
The canonical SMILES for 2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol is Cc1cc(-c2cc(C(C)C)cc(C(C)C)c2)c(O)c(-c2ccccc2-c2cccc(CNc3c(C(C)C)cccc3C(C)C)n2)c1.
What is the InChIKey of 2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol?
The InChIKey is DWPHRTQGSVRFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50N2O/c1-26(2)31-22-32(27(3)4)24-33(23-31)39-20-30(9)21-40(43(39)46)37-15-10-11-16-38(37)41-19-12-14-34(45-41)25-44-42-35(28(5)6)17-13-18-36(42)29(7)8/h10-24,26-29,44,46H,25H2,1-9H3.
What are the key properties of 2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol?
2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol has a molecular weight of 610.89 g/mol, XLogP of 12.20, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol is sourced from PubChem (CID 158253401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).